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CHEBI:4923 - Eupacunin

ChEBI IDCHEBI:4923
ChEBI NameEupacunin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILES[H][C@@]12/C=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(C)=C\[C@@H](OC(=O)/C(C)=C\C)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C22H28O7/c1-7-11(2)21(25)28-18-8-12(3)16(24)10-17(27-15(6)23)13(4)9-19-20(18)14(5)22(26)29-19/h7-9,16-20,24H,5,10H2,1-4,6H3/b11-7-,12-8-,13-9-/t16-,17-,18+,19+,20+/m0/s1
InChIKeyLVPCBECJXWCROK-IYZBVFDJSA-N
ChEBI Ontology
Outgoing Relation(s)
Eupacunin (CHEBI:4923) is a germacranolide (CHEBI:73011)
Synonym  Source
EupacuninKEGG COMPOUND
Manual XrefsDatabases
C09427KEGG COMPOUND
C00003266KNApSAcK
Registry NumbersSources
CAS:33854-15-8KEGG COMPOUND